Project name: 7CJF

Chain sequence(s)	H: EVQLVESGGGLIQPGGSLRLSCAASGFIVSSNYMSWVRQAPGKGLEWVSIIYSGGSTFYADSVKGRFTISRDNSKNTLYLQMNSLRVEDTAVYYCARDLQELGSLDYWGQGTLVTVSS; L: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQEANSFPYTFGQGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.8692
• Maximal score value: 1.6256
• Average score: -0.5197
• Total score value: -116.9342

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	E	H	-2.0510
2	V	H	-1.0839
3	Q	H	-0.8568
4	L	H	0.0000
5	V	H	1.2298
6	E	H	0.0000
7	S	H	-0.0960
8	G	H	-0.3422
9	G	H	0.2856
11	G	H	0.8732
12	L	H	1.4824
13	I	H	0.3705
14	Q	H	-0.9399
15	P	H	-1.1301
16	G	H	-1.2343
17	G	H	-1.1681
18	S	H	-1.2279
19	L	H	-0.8301
20	R	H	-1.6320
21	L	H	0.0000
22	S	H	-0.2366
23	C	H	0.0000
24	A	H	0.0126
25	A	H	0.1377
26	S	H	-0.4554
27	G	H	-0.8017
28	F	H	0.0000
29	I	H	1.3399
30	V	H	0.0000
35	S	H	-0.2119
36	S	H	0.1100
37	N	H	0.2705
38	Y	H	0.0271
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6470
45	A	H	-1.0093
46	P	H	-0.8156
47	G	H	-1.4535
48	K	H	-2.3619
49	G	H	-1.6149
50	L	H	0.0000
51	E	H	-0.9520
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	I	H	0.0000
56	I	H	0.0000
57	Y	H	-0.0034
58	S	H	-0.2215
59	G	H	-0.6895
63	G	H	-0.6727
64	S	H	-0.2128
65	T	H	0.2382
66	F	H	0.5149
67	Y	H	-0.4814
68	A	H	0.0000
69	D	H	-2.4263
70	S	H	-1.7591
71	V	H	0.0000
72	K	H	-2.4992
74	G	H	-1.8135
75	R	H	-1.7160
76	F	H	0.0000
77	T	H	-0.9203
78	I	H	0.0000
79	S	H	-0.6049
80	R	H	-1.1136
81	D	H	-1.7160
82	N	H	-1.9394
83	S	H	-1.8433
84	K	H	-2.2453
85	N	H	-1.2502
86	T	H	-0.7103
87	L	H	0.0000
88	Y	H	-0.5259
89	L	H	0.0000
90	Q	H	-1.5464
91	M	H	0.0000
92	N	H	-1.9494
93	S	H	-1.4273
94	L	H	0.0000
95	R	H	-1.3133
96	V	H	0.1146
97	E	H	-1.3600
98	D	H	0.0000
99	T	H	0.2045
100	A	H	0.0000
101	V	H	0.7162
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.1467
107	D	H	0.0000
108	L	H	-0.0821
109	Q	H	-0.7889
110	E	H	-1.6197
112	L	H	-0.2846
113	G	H	0.0000
114	S	H	0.0000
115	L	H	0.0000
116	D	H	0.0000
117	Y	H	0.5060
118	W	H	-0.0732
119	G	H	0.0000
120	Q	H	-1.2927
121	G	H	-0.3178
122	T	H	0.0000
123	L	H	1.6256
124	V	H	0.0000
125	T	H	0.7001
126	V	H	0.0000
127	S	H	-0.1937
128	S	H	-0.2944
1	D	L	-2.0056
2	I	L	-1.5851
3	Q	L	-2.1215
4	M	L	0.0000
5	T	L	-1.4649
6	Q	L	0.0000
7	S	L	-0.7678
8	P	L	-0.5591
9	S	L	-0.8675
10	S	L	-0.9233
11	V	L	-0.7184
12	S	L	-1.0205
13	A	L	0.0000
14	S	L	-0.7051
15	V	L	0.2026
16	G	L	-0.6409
17	D	L	-1.5463
18	R	L	-2.2144
19	V	L	0.0000
20	T	L	-0.5844
21	I	L	0.0000
22	T	L	-0.8605
23	C	L	0.0000
24	R	L	-2.8692
25	A	L	0.0000
26	S	L	-1.9689
27	Q	L	-2.2987
28	G	L	-1.6567
29	I	L	0.0000
36	S	L	-0.8703
37	S	L	-0.4975
38	W	L	-0.0314
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7138
44	Q	L	0.0000
45	K	L	-1.6450
46	P	L	-1.1825
47	G	L	-1.6605
48	K	L	-2.5636
49	A	L	-1.4926
50	P	L	0.0000
51	K	L	-0.9582
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4957
56	A	L	0.1484
57	A	L	0.0000
65	S	L	-0.1997
66	S	L	0.0920
67	L	L	0.2833
68	Q	L	-0.1691
69	S	L	-0.3967
70	G	L	-0.5697
71	V	L	0.0000
72	P	L	-0.4179
74	S	L	-0.4642
75	R	L	-0.7939
76	F	L	0.0000
77	S	L	-0.3387
78	G	L	-0.2381
79	S	L	-0.6631
80	G	L	-1.0369
83	S	L	-1.0718
84	G	L	-1.3566
85	T	L	-1.9458
86	D	L	-2.3639
87	F	L	0.0000
88	T	L	-0.7584
89	L	L	0.0000
90	T	L	-0.6292
91	I	L	0.0000
92	S	L	-1.3833
93	S	L	-1.1570
94	L	L	0.0000
95	Q	L	-0.7244
96	P	L	-0.8173
97	E	L	-1.6521
98	D	L	0.0000
99	F	L	-0.2952
100	A	L	0.0000
101	T	L	-0.8243
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	E	L	0.0000
107	A	L	0.0000
108	N	L	-0.9171
109	S	L	-0.3526
114	F	L	0.2873
115	P	L	-0.4575
116	Y	L	0.0000
117	T	L	-0.7682
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6475
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4851
124	L	L	0.0000
125	E	L	-1.3012
126	I	L	-0.5890
127	K	L	-1.5097